4-(cyclopropylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N7O3/c29-20(16-3-6-18(25-17-4-5-17)19(15-16)28(30)31)22-9-2-10-26-11-13-27(14-12-26)21-23-7-1-8-24-21/h1,3,6-8,15,17,25H,2,4-5,9-14H2,(H,22,29)